UCSF

ZINC20059523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 25 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.22 5.54 -14.83 2 7 0 77 343.431 4
Mid Mid (pH 6-8) 2.22 8.58 -107.93 4 7 2 80 345.447 4
Lo Low (pH 4.5-6) 2.22 7.88 -54.05 3 7 1 78 344.439 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )